SCHEMBL2390772

SCHEMBL2390772

Cc1ccc(Cn2c(-c3ccc(Oc4cccc(C(=O)N5CCCC(O)C5)c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.50
NR1H3 Q13133 4/20 0.50
RXRA P19793 2/20 0.50
LOX P28300 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
KDR P35968 3/20 0.38
FLT1 P17948 1/20 0.38
PARP14 Q460N5 2/20 0.38
PARP10 Q53GL7 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
SCN9A Q15858 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLQ O75417 1/20 0.35
P2RX7 Q99572 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2388230 0.91 NR1H2 (0.54) NR1H2NR1H3RXRAGRIN2BKDM4E
SCHEMBL2263685 0.84 NR1H2 (0.60) NR1H2NR1H3RXRASCN9AMEN1
SCHEMBL2263662 0.84 RXRA (0.62) NR1H2NR1H3RXRA
SCHEMBL2389283 0.84 RXRA (0.52) NR1H2NR1H3RXRALMNA
SCHEMBL2266030 0.83 NR1H2 (0.58) NR1H2NR1H3RXRAKDM4EMEN1
SCHEMBL2263683 0.83 NR1H2 (0.65) NR1H2NR1H3RXRAKDM4EMEN1
SCHEMBL2265430 0.82 RXRA (0.57) NR1H2NR1H3RXRASCN9AKDM4E
SCHEMBL2389581 0.82 NR1H2 (0.57) NR1H2NR1H3RXRAMEN1KMT2A
SCHEMBL2388277 0.82 NR1H2 (0.57) NR1H2NR1H3RXRASCN9AMEN1
SCHEMBL2262606 0.81 NR1H2 (0.61) NR1H2NR1H3RXRASCN9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US claimed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.